No subject

and your Al slab extends from z=0 to z=82 bohr. Based on this data, a
good choice of emaxpos & eopreg would be:

emaxpos=0.77
eopreg=0.05 

An important thing when applying strong electric fields (which is your
case) is to check against the electron field emission (i.e. that a
fraction of electrons doesn't spill to a dipole layer). This can be
verified by inspecting a charge density in the vacuum region (or even
better a charge density difference between a slab under electric field
and no field).

Best regards, Tone

-- 
Anton Kokalj
J. Stefan Institute, Jamova 39, 1000 Ljubljana, Slovenia 
(tel: +386-1-477-3523 // fax:+386-1-477-3822)

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